#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8l s SER 2 N 0.00 6.17 0.44 1.61 0.01 -1.26 -4.87 113.70 115.81 1q8l s SER 2 Ca 0.00 0.92 0.11 0.00 1.31 0.00 0.00 55.95 58.28 1q8l s SER 2 Cb 0.00 -2.54 0.99 0.00 0.21 0.00 0.00 66.02 64.68 1q8l s SER 2 CO 0.00 -1.55 2.06 0.00 0.41 0.00 0.00 173.24 174.17 1q8l h MET 3 N 11.43 0.30 0.00 12.44 -0.00 -2.02 -3.46 114.93 133.63 1q8l h MET 3 Ca -0.29 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 1q8l h MET 3 Cb 1.12 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.66 1q8l h MET 3 CO 1.08 0.24 0.00 0.00 -0.00 0.00 0.00 176.91 178.23 1q8l n ALA 4 N -2.50 0.00 -3.46 -3.00 0.00 -1.26 -5.04 120.51 105.25 1q8l n ALA 4 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1q8l n ALA 4 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1q8l n ALA 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q8l n GLN 5 N 0.00 3.15 0.04 0.00 3.00 -1.26 -4.64 117.38 117.67 1q8l n GLN 5 Ca 0.00 -4.48 0.00 0.00 -0.01 0.00 0.00 57.00 52.51 1q8l n GLN 5 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 30.24 27.77 1q8l n GLN 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q8l n ALA 6 N 2.33 3.00 0.23 -1.58 0.00 -1.26 -4.71 120.51 118.52 1q8l n ALA 6 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1q8l n ALA 6 Cb 0.38 0.30 0.41 0.00 0.00 0.00 0.00 19.45 20.54 1q8l n ALA 6 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1q8l h GLY 7 N 0.00 0.00 -1.64 0.00 0.00 -1.93 -3.45 103.07 96.05 1q8l h GLY 7 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1q8l h GLY 7 CO 0.00 0.00 -0.08 -1.83 0.00 0.00 0.00 176.54 174.63 1q8l s GLU 8 N -3.48 1.93 0.04 4.80 4.04 -1.26 -4.32 118.70 120.44 1q8l s GLU 8 Ca 0.02 -1.61 0.00 0.00 0.04 0.00 0.00 54.97 53.43 1q8l s GLU 8 Cb 0.08 0.49 -0.03 0.00 0.02 0.00 0.00 34.13 34.70 1q8l s GLU 8 CO 0.63 -0.83 -0.04 0.14 -1.84 0.00 0.00 175.26 173.32 1q8l s VAL 9 N -3.04 0.26 -0.07 1.83 -7.23 -0.04 -4.31 120.40 107.81 1q8l s VAL 9 Ca 0.26 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1q8l s VAL 9 Cb -0.02 -0.68 0.02 0.00 0.56 0.00 0.00 36.38 36.26 1q8l s VAL 9 CO 0.17 -0.60 -0.08 0.68 -0.31 0.00 0.00 175.10 174.96 1q8l s VAL 10 N -2.08 0.87 -0.37 1.32 -7.23 -1.26 -2.15 120.40 109.48 1q8l s VAL 10 Ca -0.08 -0.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1q8l s VAL 10 Cb -0.05 -0.85 0.11 0.00 0.56 0.00 0.00 36.38 36.15 1q8l s VAL 10 CO -0.03 0.31 0.15 -0.76 -0.31 0.00 0.00 175.10 174.46 1q8l s LEU 11 N 1.05 2.89 -1.01 1.32 1.43 -1.22 -5.05 118.68 118.09 1q8l s LEU 11 Ca -0.08 -2.14 -0.19 0.00 -1.03 0.00 0.00 54.13 50.69 1q8l s LEU 11 Cb -0.14 -1.08 0.11 0.00 0.03 0.00 0.00 46.19 45.11 1q8l s LEU 11 CO -0.01 -0.35 1.28 -0.75 0.23 0.00 0.00 176.35 176.76 1q8l s LYS 12 N 0.96 3.68 0.04 1.70 2.20 -1.26 -4.06 119.74 123.02 1q8l s LYS 12 Ca 0.13 -1.73 -0.17 0.00 -0.36 0.00 0.00 55.97 53.84 1q8l s LYS 12 Cb -0.21 -5.08 -0.06 0.00 -1.51 0.00 0.00 37.83 30.97 1q8l s LYS 12 CO -0.12 -1.91 0.50 -1.64 -0.36 0.00 0.00 175.35 171.82 1q8l s MET 13 N 3.19 4.08 -0.50 4.03 -1.94 -0.55 -4.50 119.30 123.11 1q8l s MET 13 Ca 0.39 0.60 -0.06 0.00 -1.71 0.00 0.00 55.69 54.90 1q8l s MET 13 Cb -0.03 -3.22 0.13 0.00 2.01 0.00 0.00 34.83 33.72 1q8l s MET 13 CO -0.07 0.66 0.33 0.21 -0.01 0.00 0.00 175.02 176.14 1q8l s LYS 14 N -1.12 2.37 1.12 2.03 2.20 -1.20 -0.88 119.74 124.26 1q8l s LYS 14 Ca 0.27 -1.98 -0.13 0.00 -0.36 0.00 0.00 55.97 53.77 1q8l s LYS 14 Cb -0.18 -3.78 0.26 0.00 -1.51 0.00 0.00 37.83 32.61 1q8l s LYS 14 CO 0.17 -1.15 1.05 0.08 -0.36 0.00 0.00 175.35 175.13 1q8l s VAL 15 N 0.92 2.04 -0.13 4.02 1.01 0.41 -0.83 120.40 127.85 1q8l s VAL 15 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1q8l s VAL 15 Cb -0.23 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1q8l s VAL 15 CO -0.03 -0.02 -0.11 -0.70 0.00 0.00 0.00 175.10 174.24 1q8l s GLU 16 N -4.60 3.35 0.00 2.72 2.12 0.17 -4.41 118.70 118.06 1q8l s GLU 16 Ca 0.68 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.36 1q8l s GLU 16 Cb -0.23 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.49 1q8l s GLU 16 CO 0.63 0.27 0.38 0.41 -0.54 0.00 0.00 175.26 176.41 1q8l n GLY 17 N 3.37 0.41 5.07 -1.50 0.00 -1.25 -4.32 105.19 106.97 1q8l n GLY 17 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1q8l n GLY 17 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1q8l n MET 18 N -0.01 0.00 0.00 1.61 1.56 -1.26 -1.42 117.12 117.60 1q8l n MET 18 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1q8l n MET 18 Cb 0.10 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.47 1q8l n MET 18 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1q8l n THR 19 N 0.00 0.00 -2.67 1.12 -2.24 -1.26 -4.99 114.28 104.24 1q8l n THR 19 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1q8l n THR 19 Cb 0.00 -0.69 0.05 0.00 -2.10 0.00 0.00 70.33 67.59 1q8l n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q8l n HIS 21 N -0.20 -2.60 0.12 0.00 -0.00 -0.51 -4.83 115.22 107.20 1q8l n HIS 21 Ca -0.16 0.98 0.19 0.00 -0.00 0.00 0.00 57.72 58.74 1q8l n HIS 21 Cb 0.71 -3.68 0.77 0.00 -0.00 0.00 0.00 29.99 27.79 1q8l n HIS 21 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1q8l h SER 22 N -0.04 0.00 0.00 0.41 0.02 -1.96 -3.41 113.55 108.57 1q8l h SER 22 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1q8l h SER 22 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1q8l h SER 22 CO 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.03 1q8l n THR 24 N -0.28 0.00 0.08 0.00 -2.24 -1.26 -4.52 114.28 106.06 1q8l n THR 24 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1q8l n THR 24 Cb 0.00 -0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.08 1q8l n THR 24 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1q8l h SER 25 N 0.00 0.77 0.18 3.42 0.02 -1.95 -2.43 113.55 113.56 1q8l h SER 25 Ca 0.00 -0.69 -0.11 0.00 -0.84 0.00 0.00 61.79 60.15 1q8l h SER 25 Cb 0.00 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1q8l h SER 25 CO 0.00 1.50 -0.41 0.71 -1.14 0.00 0.00 176.83 177.49 1q8l h THR 26 N 0.27 1.31 -0.07 -2.27 1.35 -2.01 -2.71 112.91 108.78 1q8l h THR 26 Ca -0.15 -1.54 -0.09 0.00 -0.55 0.00 0.00 66.41 64.07 1q8l h THR 26 Cb 1.82 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.89 1q8l h THR 26 CO 0.22 0.47 -0.39 0.40 -0.25 0.00 0.00 175.52 175.97 1q8l h ILE 27 N 0.26 1.29 0.61 6.82 2.04 -1.87 -1.20 117.51 125.46 1q8l h ILE 27 Ca 0.02 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1q8l h ILE 27 Cb 0.84 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1q8l h ILE 27 CO 0.07 0.41 -0.45 -0.08 0.00 0.00 0.00 178.15 178.10 1q8l h GLU 28 N 0.12 -0.99 0.00 2.37 4.81 -1.10 -1.19 114.58 118.60 1q8l h GLU 28 Ca 0.01 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1q8l h GLU 28 Cb 0.74 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1q8l h GLU 28 CO 0.06 -0.66 -0.04 0.78 -0.73 0.00 0.00 179.01 178.42 1q8l h GLY 29 N -1.03 0.00 0.46 1.92 0.00 -1.56 -2.34 103.07 100.52 1q8l h GLY 29 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1q8l h GLY 29 CO 0.03 0.00 -0.07 1.70 0.00 0.00 0.00 176.54 178.20 1q8l h LYS 30 N 0.00 -0.18 -0.31 4.80 3.64 -0.81 -2.14 116.57 121.58 1q8l h LYS 30 Ca -0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1q8l h LYS 30 Cb 0.55 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1q8l h LYS 30 CO 0.00 0.26 -0.08 0.82 -2.27 0.00 0.00 179.45 178.19 1q8l h ILE 31 N -0.73 1.22 0.00 2.00 2.04 -1.21 -2.42 117.51 118.41 1q8l h ILE 31 Ca -0.02 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1q8l h ILE 31 Cb 0.52 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1q8l h ILE 31 CO 0.03 0.30 0.00 1.23 0.00 0.00 0.00 178.15 179.72 1q8l h GLY 32 N 0.88 0.00 -1.41 5.37 0.00 -1.45 -3.10 103.07 103.37 1q8l h GLY 32 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1q8l h GLY 32 CO 0.02 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.73 1q8l n LYS 33 N -2.71 2.08 -2.27 4.80 4.81 -0.80 -4.93 118.16 119.14 1q8l n LYS 33 Ca 0.04 -1.59 -0.42 0.00 -0.87 0.00 0.00 58.31 55.47 1q8l n LYS 33 Cb 0.42 -1.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.97 1q8l n LYS 33 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1q8l s LEU 34 N -1.85 4.35 0.62 3.14 1.43 -1.15 -5.00 118.68 120.24 1q8l s LEU 34 Ca 0.33 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 1q8l s LEU 34 Cb 0.20 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 1q8l s LEU 34 CO 0.31 -0.61 1.03 -1.10 0.23 0.00 0.00 176.35 176.21 1q8l s GLN 35 N 1.42 3.48 -0.55 1.70 -1.52 -1.26 -3.73 119.66 119.21 1q8l s GLN 35 Ca 0.62 0.83 0.00 0.00 -1.95 0.00 0.00 55.36 54.86 1q8l s GLN 35 Cb -0.33 -2.06 0.00 0.00 -0.22 0.00 0.00 33.01 30.40 1q8l s GLN 35 CO 0.29 -0.66 0.00 0.41 -0.25 0.00 0.00 175.29 175.08 1q8l n GLY 36 N -2.41 0.70 3.76 3.09 0.00 -1.26 -4.57 105.19 104.50 1q8l n GLY 36 Ca 0.06 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1q8l n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q8l s VAL 37 N -1.92 5.09 0.00 1.61 1.01 -1.24 -1.31 120.40 123.64 1q8l s VAL 37 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1q8l s VAL 37 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1q8l s VAL 37 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.51 1q8l n GLN 38 N 3.01 0.00 -3.63 2.72 1.13 0.18 -4.93 117.38 115.86 1q8l n GLN 38 Ca -0.09 0.05 -0.22 0.00 -1.94 0.00 0.00 57.00 54.79 1q8l n GLN 38 Cb 0.52 -0.30 -0.01 0.00 0.11 0.00 0.00 30.24 30.55 1q8l n GLN 38 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1q8l s ARG 39 N -0.28 3.45 -0.27 -1.09 6.06 -0.95 -4.95 118.95 120.92 1q8l s ARG 39 Ca 0.00 -0.54 -0.09 0.00 -2.50 0.00 0.00 55.73 52.60 1q8l s ARG 39 Cb 0.00 -2.76 0.12 0.00 0.06 0.00 0.00 34.95 32.37 1q8l s ARG 39 CO 0.00 0.26 0.58 -1.50 -2.50 0.00 0.00 175.30 172.14 1q8l s ILE 40 N -2.17 -0.90 0.03 4.11 -1.16 -1.26 -1.42 121.20 118.43 1q8l s ILE 40 Ca 0.38 0.05 0.00 0.00 -0.51 0.00 0.00 60.65 60.57 1q8l s ILE 40 Cb -0.09 -0.91 -0.03 0.00 0.61 0.00 0.00 42.46 42.05 1q8l s ILE 40 CO 0.33 0.02 -0.04 -0.54 -2.81 0.00 0.00 174.94 171.90 1q8l s LYS 41 N 2.82 0.43 -0.05 3.50 -0.14 -0.65 -4.98 119.74 120.66 1q8l s LYS 41 Ca -0.04 -0.77 -0.02 0.00 -1.36 0.00 0.00 55.97 53.78 1q8l s LYS 41 Cb -0.12 0.03 0.04 0.00 -1.68 0.00 0.00 37.83 36.09 1q8l s LYS 41 CO -0.17 -0.04 0.09 0.08 -0.76 0.00 0.00 175.35 174.55 1q8l s VAL 42 N -1.94 -0.12 0.99 3.17 1.01 -1.26 -0.89 120.40 121.35 1q8l s VAL 42 Ca -0.10 0.32 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 1q8l s VAL 42 Cb -0.06 -0.18 0.22 0.00 0.00 0.00 0.00 36.38 36.36 1q8l s VAL 42 CO -0.02 0.13 1.35 -0.55 0.00 0.00 0.00 175.10 176.01 1q8l s SER 43 N 1.77 2.85 0.48 3.32 0.15 -0.75 -4.91 113.70 116.61 1q8l s SER 43 Ca -0.01 0.15 0.09 0.00 0.70 0.00 0.00 55.95 56.88 1q8l s SER 43 Cb -0.12 -0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1q8l s SER 43 CO -0.04 -2.89 0.65 -0.76 1.20 0.00 0.00 173.24 171.40 1q8l s LEU 44 N -5.94 3.42 0.00 3.45 2.01 -1.26 -3.96 118.68 116.39 1q8l s LEU 44 Ca 0.76 -0.61 0.00 0.00 0.01 0.00 0.00 54.13 54.29 1q8l s LEU 44 Cb -0.02 -2.22 0.00 0.00 0.01 0.00 0.00 46.19 43.96 1q8l s LEU 44 CO 0.54 -0.99 0.00 0.47 1.01 0.00 0.00 176.35 177.37 1q8l n ASP 45 N -2.00 0.00 -0.05 2.29 9.92 -1.26 -2.11 116.55 123.35 1q8l n ASP 45 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1q8l n ASP 45 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1q8l n ASN 46 N 2.01 0.11 -3.81 -2.24 4.13 -1.26 -3.93 115.26 110.27 1q8l n ASN 46 Ca 0.00 -2.00 -0.24 0.00 1.68 0.00 0.00 54.58 54.02 1q8l n ASN 46 Cb 0.00 -0.04 -0.05 0.00 -1.54 0.00 0.00 39.78 38.15 1q8l n ASN 46 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1q8l n GLN 47 N -0.44 -0.85 -1.93 3.52 7.27 -0.89 -0.45 117.38 123.61 1q8l n GLN 47 Ca 0.00 0.02 -0.32 0.00 0.07 0.00 0.00 57.00 56.78 1q8l n GLN 47 Cb 0.02 -2.24 -0.04 0.00 2.41 0.00 0.00 30.24 30.39 1q8l n GLN 47 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1q8l s GLU 48 N -6.20 2.42 -0.01 3.69 2.12 -1.26 -3.74 118.70 115.73 1q8l s GLU 48 Ca 0.08 0.41 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 1q8l s GLU 48 Cb -0.04 -4.68 -0.04 0.00 0.26 0.00 0.00 34.13 29.62 1q8l s GLU 48 CO 0.69 -3.20 1.24 0.00 -0.54 0.00 0.00 175.26 173.45 1q8l s ALA 49 N 10.44 3.48 -0.49 6.30 0.00 -0.06 -1.81 121.76 139.63 1q8l s ALA 49 Ca 0.75 0.75 0.03 0.00 0.00 0.00 0.00 51.96 53.49 1q8l s ALA 49 Cb -0.11 -3.51 0.14 0.00 0.00 0.00 0.00 23.12 19.64 1q8l s ALA 49 CO 0.13 -0.69 0.28 0.99 0.00 0.00 0.00 175.76 176.47 1q8l s THR 50 N 1.89 1.84 -0.08 0.00 2.01 -0.07 -1.48 115.64 119.75 1q8l s THR 50 Ca 0.58 -2.97 0.00 0.00 0.31 0.00 0.00 61.69 59.61 1q8l s THR 50 Cb -0.28 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 1q8l s THR 50 CO 0.25 -0.90 -0.07 -0.63 -0.69 0.00 0.00 174.62 172.58 1q8l s ILE 51 N -0.05 3.70 -0.10 1.82 1.09 -1.26 -1.64 121.20 124.76 1q8l s ILE 51 Ca 0.19 -0.47 -0.01 0.00 -1.10 0.00 0.00 60.65 59.26 1q8l s ILE 51 Cb -0.21 -2.53 -0.03 0.00 -1.06 0.00 0.00 42.46 38.63 1q8l s ILE 51 CO -0.03 0.58 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.67 1q8l s VAL 52 N -0.57 4.03 0.08 2.92 1.01 -0.51 -3.40 120.40 123.97 1q8l s VAL 52 Ca 0.08 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1q8l s VAL 52 Cb -0.12 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1q8l s VAL 52 CO 0.02 0.58 0.40 -0.72 0.00 0.00 0.00 175.10 175.37 1q8l s TYR 53 N -0.59 -0.22 0.31 5.22 1.13 -0.92 -0.65 117.35 121.64 1q8l s TYR 53 Ca 0.09 0.05 -0.27 0.00 -1.41 0.00 0.00 57.07 55.54 1q8l s TYR 53 Cb -0.12 0.22 -0.10 0.00 -1.10 0.00 0.00 41.96 40.87 1q8l s TYR 53 CO 0.02 -0.62 0.97 1.14 -2.51 0.00 0.00 175.55 174.55 1q8l s GLN 54 N -3.07 4.60 -0.19 -3.49 -2.07 -0.43 -0.86 119.66 114.15 1q8l s GLN 54 Ca -0.02 1.43 -0.01 0.00 -1.82 0.00 0.00 55.36 54.94 1q8l s GLN 54 Cb 0.00 -2.91 0.13 0.00 -1.09 0.00 0.00 33.01 29.14 1q8l s GLN 54 CO -0.07 0.28 2.03 -0.35 -1.32 0.00 0.00 175.29 175.86 1q8l n PRO 55 N 0.74 1.49 -0.30 9.60 -0.04 -1.26 -3.91 135.00 141.32 1q8l n PRO 55 Ca 0.01 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1q8l n PRO 55 Cb 0.49 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1q8l n PRO 55 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1q8l n HIS 56 N 0.82 0.00 0.00 0.54 1.44 -1.26 -4.97 115.22 111.80 1q8l n HIS 56 Ca 0.18 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.86 1q8l n HIS 56 Cb 0.55 0.10 -0.01 0.00 0.12 0.00 0.00 29.99 30.75 1q8l n HIS 56 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1q8l n LEU 57 N 0.00 1.36 -3.52 2.39 7.99 -1.25 -5.12 117.00 118.84 1q8l n LEU 57 Ca 0.00 0.20 -0.09 0.00 -0.01 0.00 0.00 56.01 56.11 1q8l n LEU 57 Cb 0.55 -0.46 -0.02 0.00 -0.11 0.00 0.00 43.42 43.38 1q8l n LEU 57 CO 0.00 -0.58 0.63 -0.51 -1.51 0.00 0.00 177.39 175.42 1q8l s ILE 58 N -2.29 0.00 -0.29 -0.08 2.07 -1.26 -5.05 121.20 114.30 1q8l s ILE 58 Ca -0.09 -0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 58.93 1q8l s ILE 58 Cb 0.01 -1.12 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 1q8l s ILE 58 CO 0.14 0.00 0.25 -0.94 -1.91 0.00 0.00 174.94 172.48 1q8l s SER 59 N -2.59 6.09 0.54 4.50 1.04 -1.26 -4.93 113.70 117.09 1q8l s SER 59 Ca 0.05 -0.04 0.36 0.00 0.48 0.00 0.00 55.95 56.80 1q8l s SER 59 Cb -0.01 -2.15 1.81 0.00 0.10 0.00 0.00 66.02 65.77 1q8l s SER 59 CO -0.08 -0.13 2.10 0.58 0.98 0.00 0.00 173.24 176.68 1q8l h VAL 60 N 5.41 0.00 -0.47 5.02 2.07 -1.97 -1.15 116.25 125.16 1q8l h VAL 60 Ca -0.33 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 1q8l h VAL 60 Cb 1.17 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1q8l h VAL 60 CO 0.60 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 177.95 1q8l h GLU 61 N 0.00 0.91 -0.49 1.57 4.81 -1.96 0.19 114.58 119.60 1q8l h GLU 61 Ca 0.00 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 1q8l h GLU 61 Cb 0.18 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1q8l h GLU 61 CO 0.00 0.99 -0.14 1.49 -0.73 0.00 0.00 179.01 180.62 1q8l h GLU 62 N 0.80 0.94 -0.26 1.92 4.57 -1.63 -0.87 114.58 120.05 1q8l h GLU 62 Ca 0.12 -0.36 -0.05 0.00 -1.18 0.00 0.00 59.36 57.90 1q8l h GLU 62 Cb 0.69 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1q8l h GLU 62 CO 0.05 1.02 -0.05 0.52 -1.18 0.00 0.00 179.01 179.37 1q8l h MET 63 N 0.84 0.41 0.00 1.92 2.86 -1.26 -1.36 114.93 118.34 1q8l h MET 63 Ca 0.13 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1q8l h MET 63 Cb 0.69 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1q8l h MET 63 CO 0.05 0.48 -0.01 0.87 1.06 0.00 0.00 176.91 179.36 1q8l h LYS 64 N 0.39 0.00 0.00 1.72 1.57 -0.29 -3.04 116.57 116.92 1q8l h LYS 64 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1q8l h LYS 64 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1q8l h LYS 64 CO 0.01 0.00 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.39 1q8l h LYS 65 N 0.00 0.00 -0.26 3.15 3.64 0.00 -0.76 116.57 122.34 1q8l h LYS 65 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1q8l h LYS 65 Cb 0.91 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1q8l h LYS 65 CO 0.00 0.29 -0.55 1.96 -2.27 0.00 0.00 179.45 178.88 1q8l h GLN 66 N 0.00 0.80 -0.52 1.90 1.08 -1.47 0.11 115.11 117.01 1q8l h GLN 66 Ca -0.00 -0.51 -0.03 0.00 -1.45 0.00 0.00 58.65 56.65 1q8l h GLN 66 Cb 0.52 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 1q8l h GLN 66 CO 0.04 1.14 0.19 0.82 -0.95 0.00 0.00 178.83 180.06 1q8l h ILE 67 N 0.61 1.20 0.00 2.54 2.04 -1.29 -0.73 117.51 121.88 1q8l h ILE 67 Ca 0.01 -0.65 -0.14 0.00 1.00 0.00 0.00 64.86 65.08 1q8l h ILE 67 Cb 1.15 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1q8l h ILE 67 CO 0.12 0.25 -0.66 -0.33 0.00 0.00 0.00 178.15 177.53 1q8l h GLU 68 N 0.75 0.00 -0.11 2.37 5.08 -0.89 -0.24 114.58 121.54 1q8l h GLU 68 Ca 0.18 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.33 1q8l h GLU 68 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1q8l h GLU 68 CO -0.01 0.66 -0.77 0.00 -1.00 0.00 0.00 179.01 177.88 1q8l h ALA 69 N 1.34 0.43 0.00 3.43 0.00 0.12 -3.05 119.26 121.53 1q8l h ALA 69 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1q8l h ALA 69 Cb 1.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1q8l h ALA 69 CO 0.09 0.72 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1q8l h MET 70 N 0.41 0.00 0.00 0.00 -0.00 -1.21 -3.46 114.93 110.67 1q8l h MET 70 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1q8l h MET 70 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.98 1q8l h MET 70 CO 0.15 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.47 1q8l n GLY 71 N 0.48 0.21 2.69 -3.00 0.00 -1.15 -5.09 105.19 99.32 1q8l n GLY 71 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1q8l n GLY 71 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q8l n PHE 72 N 0.00 3.49 -1.57 1.61 3.72 -0.11 -4.30 117.46 120.30 1q8l n PHE 72 Ca 0.00 -4.19 -0.45 0.00 -0.05 0.00 0.00 57.45 52.76 1q8l n PHE 72 Cb 0.00 -0.64 -0.02 0.00 -0.94 0.00 0.00 39.48 37.88 1q8l n PHE 72 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1q8l n PRO 73 N 1.43 1.21 -5.04 -1.08 -0.02 -1.26 -3.44 135.00 126.80 1q8l n PRO 73 Ca 0.25 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 1q8l n PRO 73 Cb 0.38 -1.78 -0.16 0.00 -0.02 0.00 0.00 33.50 31.92 1q8l n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q8l s ALA 74 N -0.94 1.86 -1.30 3.55 0.00 -1.26 0.46 121.76 124.13 1q8l s ALA 74 Ca 0.61 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 1q8l s ALA 74 Cb -0.74 -0.64 0.13 0.00 0.00 0.00 0.00 23.12 21.86 1q8l s ALA 74 CO 0.59 0.30 1.79 1.19 0.00 0.00 0.00 175.76 179.63 1q8l n PHE 75 N 3.27 3.97 -2.03 0.00 3.72 -0.01 -4.88 117.46 121.50 1q8l n PHE 75 Ca -0.19 -3.00 -0.41 0.00 -0.05 0.00 0.00 57.45 53.80 1q8l n PHE 75 Cb 0.52 -2.27 -0.02 0.00 -0.94 0.00 0.00 39.48 36.78 1q8l n PHE 75 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1q8l s VAL 76 N 1.99 2.63 -0.04 -4.37 1.01 -1.26 -3.27 120.40 117.10 1q8l s VAL 76 Ca 0.45 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.76 1q8l s VAL 76 Cb 0.06 -3.37 -0.22 0.00 0.00 0.00 0.00 36.38 32.85 1q8l s VAL 76 CO -0.00 0.11 1.08 0.11 0.00 0.00 0.00 175.10 176.40 1q8l h LYS 77 N 4.25 0.19 -5.51 2.72 1.57 -1.94 -3.42 116.57 114.44 1q8l h LYS 77 Ca -0.47 -0.18 -0.24 0.00 -1.87 0.00 0.00 60.65 57.88 1q8l h LYS 77 Cb 1.22 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1q8l h LYS 77 CO 0.72 0.89 0.82 0.21 -0.57 0.00 0.00 179.45 181.52 1q8l s LYS 78 N -3.31 1.89 -0.43 3.15 2.20 -1.26 -4.79 119.74 117.19 1q8l s LYS 78 Ca -0.16 0.87 0.09 0.00 -0.36 0.00 0.00 55.97 56.42 1q8l s LYS 78 Cb 0.01 -4.69 0.29 0.00 -1.51 0.00 0.00 37.83 31.93 1q8l s LYS 78 CO 0.74 -3.83 0.65 1.04 -0.36 0.00 0.00 175.35 173.59 1q8l n GLN 79 N 8.92 1.20 0.08 4.03 1.13 -1.26 -4.99 117.38 126.50 1q8l n GLN 79 Ca 0.41 -3.57 -0.13 0.00 -1.94 0.00 0.00 57.00 51.77 1q8l n GLN 79 Cb 0.49 -1.57 -0.08 0.00 0.11 0.00 0.00 30.24 29.19 1q8l n GLN 79 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1q8l h PRO 80 N 3.61 -0.16 -0.71 -1.09 0.13 -1.90 -0.23 132.00 131.66 1q8l h PRO 80 Ca 0.10 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.36 1q8l h PRO 80 Cb 0.85 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 1q8l h PRO 80 CO 0.54 0.02 0.47 1.57 -0.23 0.00 0.00 178.00 180.38 1q8l h LYS 81 N -0.31 0.47 0.04 0.86 -0.00 -2.01 -0.50 116.57 115.11 1q8l h LYS 81 Ca -0.02 -0.03 -0.23 0.00 -0.00 0.00 0.00 60.65 60.38 1q8l h LYS 81 Cb 0.25 -0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 32.37 1q8l h LYS 81 CO 0.03 0.31 -1.02 -0.92 -0.00 0.00 0.00 179.45 177.85 1q8l h TYR 82 N 0.48 0.32 -4.14 0.07 3.20 -1.88 -3.45 116.97 111.58 1q8l h TYR 82 Ca 0.34 -0.20 -0.47 0.00 3.14 0.00 0.00 58.73 61.54 1q8l h TYR 82 Cb 0.65 -0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.92 1q8l h TYR 82 CO -0.00 1.09 0.37 -1.17 -1.64 0.00 0.00 178.16 176.81 1q8l s LEU 83 N -7.22 3.72 0.00 2.82 2.96 -0.14 -5.14 118.68 115.69 1q8l s LEU 83 Ca -0.03 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.59 1q8l s LEU 83 Cb 0.09 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 42.25 1q8l s LEU 83 CO 0.85 -0.67 0.14 1.17 -1.32 0.00 0.00 176.35 176.52